4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-oxidanyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-1-carboxamide

Systemtic Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-oxidanyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-1-carboxamide Openeye Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-(4-pyridylmethyl)piperidin-1-ium-1-carbohydroxamic acid CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-hydroxy-1-(pyridin-4-ylmethyl)-1-piperidin-1-iumcarboxamide IUPAC Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-hydroxy-1-(pyridin-4-ylmethyl)piperidin-1-ium-1-carboxamide Traditional Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-1-(4-pyridylmethyl)piperidin-1-ium-1-carbohydroxamic acid Formula: C23H28N3O5S+ MolecularWeight: 458.55052

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CC2CC[N+](CC2)(CC3=CC=NC=C3)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CC2CC[N+](CC2)(CC3=CC=NC=C3)C(=O)NO

InChI

InChI=1S/C23H27N3O5S/c1-2-3-16-31-21-4-6-22(7-5-21)32(29,30)18-20-10-14-26(15-11-20,23(27)25-28)17-19-8-12-24-13-9-19/h4-9,12-13,20H,10-11,14-18H2,1H3,(H-,25,27,28)/p+1